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4-(4-Fluoro-2-methyl-1H-indol-5-yloxy)-6-methoxyquinazolin-7-ol (574745-76-9)

Identification
Name:4-(4-Fluoro-2-methyl-1H-indol-5-yloxy)-6-methoxyquinazolin-7-ol
Synonyms:4-(4-fluoro-2-methyl-1H-indol-5-yloxy)-6-methoxyquinazolin-7-ol;
CAS:574745-76-9
Molecular Formula: C18H14FN3O3
Molecular Weight: 339.32
InChI: InChI=1/C18H14FN3O3/c1-9-5-10-12(22-9)3-4-15(17(10)19)25-18-11-6-16(24-2)14(23)7-13(11)20-8-21-18/h3-8,22-23H,1-2H3
Molecular Structure: (C18H14FN3O3) 4-(4-fluoro-2-methyl-1H-indol-5-yloxy)-6-methoxyquinazolin-7-ol;
Properties
Density:1.438
Refractive index:1.712
Specification:

The 4-(4-Fluoro-2-methyl-1H-indol-5-yloxy)-6-methoxyquinazolin-7-ol with the molecular formula of C18H14FN3O3 is a kind of organic compounds. Its cas registry number is 574745-76-9. Its systematic name and IUPAC name is the same which is called 4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxy-quinazolin-7-ol .

Physical properties about this chemical are: (1) ACD/LogP: 3.21; (2) # of Rule of 5 Violations: 0 ; (3) ACD/LogD (pH 5.5): 3.187 ; (4) ACD/LogD (pH 7.4): 2.455 ; (5) ACD/BCF (pH 5.5): 153.555 ; (6) ACD/BCF (pH 7.4): 28.43 ; (7) ACD/KOC (pH 5.5): 1256.936 ; (8) ACD/KOC (pH 7.4): 232.713 ; (9) #H bond acceptors: 6 ; (10) #H bond donors: 2 ; (11) #Freely Rotating Bonds: 4 ; (12) Polar Surface Area: 80.26 Å2 ; (13) Index of Refraction: 1.712 ; (14) Molar Refractivity: 92.376 cm3 ; (15) Molar Volume: 235.939 cm3 ; (16) Surface Tension: 65.189 dyne/cm ; (17) Density: 1.438 g/cm3 ; (18) Flash Point: 288.676 °C ; (19) Enthalpy of Vaporization: 86.576 kJ/mol ; (20) Boiling Point: 553.714 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1) SMILES:Cc1cc2c([nH]1)ccc(c2F)Oc3c4cc(c(cc4ncn3)O)OC;
(2) InChI:InChI=1/C18H14FN3O3/c1-9-5-10-12(22-9)3-4-15(17(10)19)25-18-11-6-16(24-2)14(23)7-13(11)20-8-21-18/h3-8,22-23H,1-2H3;
(3) InChIKey:BNDMWBMVOITFQA-UHFFFAOYAO

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